Compound Detail
CHEMBL136300
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Basic Information
| ChEMBL ID | CHEMBL136300 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUWXQZSJEIFLDW-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
5.57
ALogP
4
HBA
1
HBD
26.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Ki 1 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 4.4 | nM | 8.36 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement at calc... | 7473567 |
| Voltage-gated L-type calcium channel | IC50 | = | 12.0 | nM | 7.92 | Inhibition of [3H]nitrendipine binding at L-type [Ca2+] channel in rat cortex ho... | 7473567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473567 | 10.1021/jm00022a005 | Voltage-gated L-type calcium channel | 2 |
Data from ChEMBL 36 via Core Engine